1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]thiourea

Systemtic Name: 1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]thiourea Openeye Name: 1-(4-chlorophenyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]thiourea CAS Name: 1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]thiourea IUPAC Name: 1-(4-chlorophenyl)-3-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]thiourea Traditional Name: 1-(4-chlorophenyl)-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]thiourea Formula: C16H14ClN5S2 MolecularWeight: 375.89886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=S)N2NC(=S)NC3=CC=C(C=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=S)N2NC(=S)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H14ClN5S2/c1-10-2-4-11(5-3-10)14-19-20-16(24)22(14)21-15(23)18-13-8-6-12(17)7-9-13/h2-9H,1H3,(H,20,24)(H2,18,21,23)