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

Systemtic Name: 1-[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(4-methylphenyl)thiourea Openeye Name: 1-[3-(4-tert-butylphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-(p-tolyl)thiourea CAS Name: 1-[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(4-methylphenyl)thiourea IUPAC Name: 1-[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(4-methylphenyl)thiourea Traditional Name: 1-[3-(4-tert-butylphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-(p-tolyl)thiourea Formula: C20H23N5S2 MolecularWeight: 397.56012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=S)NN2C(=NNC2=S)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=S)NN2C(=NNC2=S)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H23N5S2/c1-13-5-11-16(12-6-13)21-18(26)24-25-17(22-23-19(25)27)14-7-9-15(10-8-14)20(2,3)4/h5-12H,1-4H3,(H,23,27)(H2,21,24,26)