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

Systemtic Name: 1-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[3-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]thiourea CAS Name: 1-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[3-(4-bromophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]thiourea Traditional Name: 1-benzyl-3-[3-(4-bromophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]thiourea Formula: C16H14BrN5S2 MolecularWeight: 420.34986

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NN2C(=NNC2=S)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)NN2C(=NNC2=S)C3=CC=C(C=C3)Br

InChI

InChI=1S/C16H14BrN5S2/c17-13-8-6-12(7-9-13)14-19-20-16(24)22(14)21-15(23)18-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,20,24)(H2,18,21,23)