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

Systemtic Name: 1-[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(4-chlorophenyl)thiourea Openeye Name: 1-[3-(4-tert-butylphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-(4-chlorophenyl)thiourea CAS Name: 1-[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(4-chlorophenyl)thiourea IUPAC Name: 1-[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(4-chlorophenyl)thiourea Traditional Name: 1-[3-(4-tert-butylphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-(4-chlorophenyl)thiourea Formula: C19H20ClN5S2 MolecularWeight: 417.9786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN5S2/c1-19(2,3)13-6-4-12(5-7-13)16-22-23-18(27)25(16)24-17(26)21-15-10-8-14(20)9-11-15/h4-11H,1-3H3,(H,23,27)(H2,21,24,26)