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

Systemtic Name: [4-(4-methylcyclohexyl)-7-piperazin-1-yl-6-pyridin-3-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate Openeye Name: [4-(4-methylcyclohexyl)-7-piperazin-1-yl-6-(3-pyridyl)-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate CAS Name: benzoic acid [4-(4-methylcyclohexyl)-7-(1-piperazinyl)-6-(3-pyridinyl)-5-(1,3,4-thiadiazol-2-yl)-1-benzotriazolyl] ester IUPAC Name: [4-(4-methylcyclohexyl)-7-piperazin-1-yl-6-pyridin-3-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate Traditional Name: benzoic acid [4-(4-methylcyclohexyl)-7-piperazino-6-(3-pyridyl)-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] ester Formula: C31H32N8O2S MolecularWeight: 580.70318

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C2=C3C(=C(C(=C2C4=NN=CS4)C5=CN=CC=C5)N6CCNCC6)N(N=N3)OC(=O)C7=CC=CC=C7

Isomeric SMILES

CC1CCC(CC1)C2=C3C(=C(C(=C2C4=NN=CS4)C5=CN=CC=C5)N6CCNCC6)N(N=N3)OC(=O)C7=CC=CC=C7

InChI

InChI=1S/C31H32N8O2S/c1-20-9-11-21(12-10-20)24-26(30-36-34-19-42-30)25(23-8-5-13-33-18-23)28(38-16-14-32-15-17-38)29-27(24)35-37-39(29)41-31(40)22-6-3-2-4-7-22/h2-8,13,18-21,32H,9-12,14-17H2,1H3