3-[3-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide

Systemtic Name: 3-[3-[2-[(2-methyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Openeye Name: 3-[3-[2-(2-methyl-6-nitro-anilino)-2-oxo-ethyl]sulfanyl-5-(2-thienyl)-1,2,4-triazol-4-yl]propanamide CAS Name: 3-[3-[[2-(2-methyl-6-nitroanilino)-2-oxoethyl]thio]-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide IUPAC Name: 3-[3-[2-(2-methyl-6-nitroanilino)-2-oxoethyl]sulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-yl]propanamide Traditional Name: 3-[3-[[2-keto-2-(2-methyl-6-nitro-anilino)ethyl]thio]-5-(2-thienyl)-1,2,4-triazol-4-yl]propionamide Formula: C18H18N6O4S2 MolecularWeight: 446.50332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

Isomeric SMILES

CC1=C(C(=CC=C1)[N+](=O)[O-])NC(=O)CSC2=NN=C(N2CCC(=O)N)C3=CC=CS3

InChI

InChI=1S/C18H18N6O4S2/c1-11-4-2-5-12(24(27)28)16(11)20-15(26)10-30-18-22-21-17(13-6-3-9-29-13)23(18)8-7-14(19)25/h2-6,9H,7-8,10H2,1H3,(H2,19,25)(H,20,26)