[6-phenyl-4-(4-phenylcyclohexyl)-7-piperazin-1-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate

Systemtic Name: [6-phenyl-4-(4-phenylcyclohexyl)-7-piperazin-1-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate Openeye Name: [6-phenyl-4-(4-phenylcyclohexyl)-7-piperazin-1-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate CAS Name: benzoic acid [6-phenyl-4-(4-phenylcyclohexyl)-7-(1-piperazinyl)-5-(1,3,4-thiadiazol-2-yl)-1-benzotriazolyl] ester IUPAC Name: [6-phenyl-4-(4-phenylcyclohexyl)-7-piperazin-1-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate Traditional Name: benzoic acid [6-phenyl-4-(4-phenylcyclohexyl)-7-piperazino-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] ester Formula: C37H35N7O2S MolecularWeight: 641.7845

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1C2=CC=CC=C2)C3=C4C(=C(C(=C3C5=NN=CS5)C6=CC=CC=C6)N7CCNCC7)N(N=N4)OC(=O)C8=CC=CC=C8

Isomeric SMILES

C1CC(CCC1C2=CC=CC=C2)C3=C4C(=C(C(=C3C5=NN=CS5)C6=CC=CC=C6)N7CCNCC7)N(N=N4)OC(=O)C8=CC=CC=C8

InChI

InChI=1S/C37H35N7O2S/c45-37(29-14-8-3-9-15-29)46-44-35-33(40-42-44)30(28-18-16-26(17-19-28)25-10-4-1-5-11-25)32(36-41-39-24-47-36)31(27-12-6-2-7-13-27)34(35)43-22-20-38-21-23-43/h1-15,24,26,28,38H,16-23H2