3,4-bis(chloranyl)-N-[2-[5-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide

Systemtic Name: 3,4-bis(chloranyl)-N-[2-[5-[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[2-[4-allyl-5-[2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichloro-benzamide CAS Name: 3,4-dichloro-N-[2-[5-[[2-(2-methyl-5-nitroanilino)-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 3,4-dichloro-N-[2-[5-[2-(2-methyl-5-nitroanilino)-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: N-[2-[4-allyl-5-[[2-keto-2-(2-methyl-5-nitro-anilino)ethyl]thio]-1,2,4-triazol-3-yl]ethyl]-3,4-dichloro-benzamide Formula: C23H22Cl2N6O4S MolecularWeight: 549.42958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2CC=C)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2CC=C)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H22Cl2N6O4S/c1-3-10-30-20(8-9-26-22(33)15-5-7-17(24)18(25)11-15)28-29-23(30)36-13-21(32)27-19-12-16(31(34)35)6-4-14(19)2/h3-7,11-12H,1,8-10,13H2,2H3,(H,26,33)(H,27,32)