4-(4-methylphenyl)sulfanyl-3-nitro-N-prop-2-enyl-benzamide

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-prop-2-enyl-benzamide Openeye Name: N-allyl-3-nitro-4-(p-tolylsulfanyl)benzamide CAS Name: 4-[(4-methylphenyl)thio]-3-nitro-N-prop-2-enylbenzamide IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-nitro-N-prop-2-enylbenzamide Traditional Name: N-allyl-3-nitro-4-(p-tolylthio)benzamide Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC=C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)NCC=C)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O3S/c1-3-10-18-17(20)13-6-9-16(15(11-13)19(21)22)23-14-7-4-12(2)5-8-14/h3-9,11H,1,10H2,2H3,(H,18,20)