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

Systemtic Name: 1-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-phenyl-thiourea Openeye Name: 1-phenyl-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]thiourea CAS Name: 1-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-phenylthiourea IUPAC Name: 1-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-phenylthiourea Traditional Name: 1-phenyl-3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]thiourea Formula: C16H15N5S2 MolecularWeight: 341.4538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N5S2/c1-11-7-9-12(10-8-11)14-18-19-16(23)21(14)20-15(22)17-13-5-3-2-4-6-13/h2-10H,1H3,(H,19,23)(H2,17,20,22)