1-[2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-phenyl-thiourea

Systemtic Name: 1-[2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]-3-phenyl-thiourea Openeye Name: 1-[[2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenyl-thiourea CAS Name: 1-[[2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]-1-oxoethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-3-phenylthiourea Traditional Name: 1-[[2-[[4-(4-bromophenyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetyl]amino]-3-phenyl-thiourea Formula: C23H19BrN6OS2 MolecularWeight: 539.47056

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NNC(=S)NC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)NNC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C23H19BrN6OS2/c24-17-11-13-19(14-12-17)30-21(16-7-3-1-4-8-16)27-29-23(30)33-15-20(31)26-28-22(32)25-18-9-5-2-6-10-18/h1-14H,15H2,(H,26,31)(H2,25,28,32)