3-nitro-4-phenylsulfanyl-N-prop-2-enyl-benzamide

Systemtic Name: 3-nitro-4-phenylsulfanyl-N-prop-2-enyl-benzamide Openeye Name: N-allyl-3-nitro-4-phenylsulfanyl-benzamide CAS Name: 3-nitro-4-(phenylthio)-N-prop-2-enylbenzamide IUPAC Name: 3-nitro-4-phenylsulfanyl-N-prop-2-enylbenzamide Traditional Name: N-allyl-3-nitro-4-(phenylthio)benzamide Formula: C16H14N2O3S MolecularWeight: 314.35896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N2O3S/c1-2-10-17-16(19)12-8-9-15(14(11-12)18(20)21)22-13-6-4-3-5-7-13/h2-9,11H,1,10H2,(H,17,19)