3,4-bis(chloranyl)-N-[2-[5-[2-[(4-fluorophenyl)methylamino]-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-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide Openeye Name: N-[2-[4-allyl-5-[2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]-3,4-dichloro-benzamide CAS Name: 3,4-dichloro-N-[2-[5-[[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]thio]-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide IUPAC Name: 3,4-dichloro-N-[2-[5-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]sulfanyl-4-prop-2-enyl-1,2,4-triazol-3-yl]ethyl]benzamide Traditional Name: N-[2-[4-allyl-5-[[2-[(4-fluorobenzyl)amino]-2-keto-ethyl]thio]-1,2,4-triazol-3-yl]ethyl]-3,4-dichloro-benzamide Formula: C23H22Cl2FN5O2S MolecularWeight: 522.422483

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)F)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)F)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C23H22Cl2FN5O2S/c1-2-11-31-20(9-10-27-22(33)16-5-8-18(24)19(25)12-16)29-30-23(31)34-14-21(32)28-13-15-3-6-17(26)7-4-15/h2-8,12H,1,9-11,13-14H2,(H,27,33)(H,28,32)