1-phenyl-3-[4-[4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]thiourea

Systemtic Name: 1-phenyl-3-[4-[4-phenyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]phenyl]thiourea Openeye Name: 1-[4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenyl-thiourea CAS Name: 1-phenyl-3-[4-[4-phenyl-5-(phenylmethylthio)-1,2,4-triazol-3-yl]phenyl]thiourea IUPAC Name: 1-[4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)phenyl]-3-phenylthiourea Traditional Name: 1-[4-[5-(benzylthio)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-3-phenyl-thiourea Formula: C28H23N5S2 MolecularWeight: 493.64572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)NC(=S)NC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC=C(C=C4)NC(=S)NC5=CC=CC=C5

InChI

InChI=1S/C28H23N5S2/c34-27(29-23-12-6-2-7-13-23)30-24-18-16-22(17-19-24)26-31-32-28(33(26)25-14-8-3-9-15-25)35-20-21-10-4-1-5-11-21/h1-19H,20H2,(H2,29,30,34)