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

Systemtic Name: benzotriazol-1-yl 4-[5-[4-(4-methylcyclohexyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzoate Openeye Name: benzotriazol-1-yl 4-[5-[4-(4-methylcyclohexyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzoate CAS Name: 4-[5-[4-(4-methylcyclohexyl)-1-piperazinyl]-1,3,4-thiadiazol-2-yl]benzoic acid 1-benzotriazolyl ester IUPAC Name: benzotriazol-1-yl 4-[5-[4-(4-methylcyclohexyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]benzoate Traditional Name: 4-[5-[4-(4-methylcyclohexyl)piperazino]-1,3,4-thiadiazol-2-yl]benzoic acid benzotriazol-1-yl ester Formula: C26H29N7O2S MolecularWeight: 503.61916

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)N2CCN(CC2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

Isomeric SMILES

CC1CCC(CC1)N2CCN(CC2)C3=NN=C(S3)C4=CC=C(C=C4)C(=O)ON5C6=CC=CC=C6N=N5

InChI

InChI=1S/C26H29N7O2S/c1-18-6-12-21(13-7-18)31-14-16-32(17-15-31)26-29-28-24(36-26)19-8-10-20(11-9-19)25(34)35-33-23-5-3-2-4-22(23)27-30-33/h2-5,8-11,18,21H,6-7,12-17H2,1H3