4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-phenethyl-benzamide

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-phenethyl-benzamide Openeye Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-phenethyl-benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-phenethylbenzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-phenethylbenzamide Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-phenethyl-benzamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S/c1-22-12-20-21-18(22)27-16-8-7-14(11-15(16)23(25)26)17(24)19-10-9-13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3,(H,19,24)