3-nitro-N-(2-prop-2-enylsulfanylphenyl)-4-(1,2,4-triazol-1-yl)benzamide

Systemtic Name: 3-nitro-N-(2-prop-2-enylsulfanylphenyl)-4-(1,2,4-triazol-1-yl)benzamide Openeye Name: N-(2-allylsulfanylphenyl)-3-nitro-4-(1,2,4-triazol-1-yl)benzamide CAS Name: 3-nitro-N-[2-(prop-2-enylthio)phenyl]-4-(1,2,4-triazol-1-yl)benzamide IUPAC Name: 3-nitro-N-(2-prop-2-enylsulfanylphenyl)-4-(1,2,4-triazol-1-yl)benzamide Traditional Name: N-[2-(allylthio)phenyl]-3-nitro-4-(1,2,4-triazol-1-yl)benzamide Formula: C18H15N5O3S MolecularWeight: 381.4084

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O3S/c1-2-9-27-17-6-4-3-5-14(17)21-18(24)13-7-8-15(16(10-13)23(25)26)22-12-19-11-20-22/h2-8,10-12H,1,9H2,(H,21,24)