3-nitro-N-[2-(phenylmethylsulfanyl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: 3-nitro-N-[2-(phenylmethylsulfanyl)ethyl]-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(2-benzylsulfanylethyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-[2-(phenylmethylthio)ethyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: N-(2-benzylsulfanylethyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(benzylthio)ethyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C18H17N5O3S MolecularWeight: 383.42428

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCCNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSCCNC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H17N5O3S/c24-18(20-8-9-27-11-14-4-2-1-3-5-14)15-6-7-16(17(10-15)23(25)26)22-13-19-12-21-22/h1-7,10,12-13H,8-9,11H2,(H,20,24)