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

Systemtic Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzamide CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-N-prop-2-enylbenzamide IUPAC Name: 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzamide Formula: C13H13N5O3S MolecularWeight: 319.33902

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C13H13N5O3S/c1-3-6-14-12(19)9-4-5-11(10(7-9)18(20)21)22-13-16-15-8-17(13)2/h3-5,7-8H,1,6H2,2H3,(H,14,19)