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

Systemtic Name: [4-(4-ethylcyclohexyl)-7-piperazin-1-yl-6-pyridin-3-yl-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate Openeye Name: [4-(4-ethylcyclohexyl)-7-piperazin-1-yl-6-(3-pyridyl)-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] benzoate CAS Name: benzoic acid [4-(4-ethylcyclohexyl)-7-(1-piperazinyl)-6-(3-pyridinyl)-5-(1,3,4-thiadiazol-2-yl)-1-benzotriazolyl] ester IUPAC Name: [4-(4-ethylcyclohexyl)-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-ethylcyclohexyl)-7-piperazino-6-(3-pyridyl)-5-(1,3,4-thiadiazol-2-yl)benzotriazol-1-yl] ester Formula: C32H34N8O2S MolecularWeight: 594.72976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCC(CC1)C2=C3C(=C(C(=C2C4=NN=CS4)C5=CN=CC=C5)N6CCNCC6)N(N=N3)OC(=O)C7=CC=CC=C7

Isomeric SMILES

CCC1CCC(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/C32H34N8O2S/c1-2-21-10-12-22(13-11-21)25-27(31-37-35-20-43-31)26(24-9-6-14-34-19-24)29(39-17-15-33-16-18-39)30-28(25)36-38-40(30)42-32(41)23-7-4-3-5-8-23/h3-9,14,19-22,33H,2,10-13,15-18H2,1H3