1-methyl-3-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]thiourea

Systemtic Name: 1-methyl-3-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]methylideneamino]thiourea Openeye Name: 1-methyl-3-[(E)-[3-nitro-4-(p-tolylsulfanyl)phenyl]methyleneamino]thiourea CAS Name: 1-methyl-3-[(E)-[4-[(4-methylphenyl)thio]-3-nitrophenyl]methylideneamino]thiourea IUPAC Name: 1-methyl-3-[(E)-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]methylideneamino]thiourea Traditional Name: 1-methyl-3-[(E)-[3-nitro-4-(p-tolylthio)benzylidene]amino]thiourea Formula: C16H16N4O2S2 MolecularWeight: 360.45384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=NNC(=S)NC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=N/NC(=S)NC)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O2S2/c1-11-3-6-13(7-4-11)24-15-8-5-12(9-14(15)20(21)22)10-18-19-16(23)17-2/h3-10H,1-2H3,(H2,17,19,23)/b18-10+