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

Systemtic Name: [4-(4-methylidenecyclohexyl)-6-phenyl-7-piperazin-1-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate Openeye Name: [4-(4-methylenecyclohexyl)-6-phenyl-7-piperazin-1-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate CAS Name: benzoic acid [4-(4-methylenecyclohexyl)-6-phenyl-7-(1-piperazinyl)-5-(1,3,4-thiadiazol-2-yl)-1-benzotriazolyl] ester IUPAC Name: [4-(4-methylidenecyclohexyl)-6-phenyl-7-piperazin-1-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate Traditional Name: benzoic acid [4-(4-methylenecyclohexyl)-6-phenyl-7-piperazino-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] ester Formula: C32H31N7O2S MolecularWeight: 577.69924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=C1CCC(CC1)C2=C3C(=C(C(=C2C4=NN=CS4)C5=CC=CC=C5)N6CCNCC6)N(N=N3)OC(=O)C7=CC=CC=C7

Isomeric SMILES

C=C1CCC(CC1)C2=C3C(=C(C(=C2C4=NN=CS4)C5=CC=CC=C5)N6CCNCC6)N(N=N3)OC(=O)C7=CC=CC=C7

InChI

InChI=1S/C32H31N7O2S/c1-21-12-14-23(15-13-21)25-27(31-36-34-20-42-31)26(22-8-4-2-5-9-22)29(38-18-16-33-17-19-38)30-28(25)35-37-39(30)41-32(40)24-10-6-3-7-11-24/h2-11,20,23,33H,1,12-19H2