[3-(1,3-benzothiazol-2-ylsulfanyl)-1-methyl-4-propan-2-yl-cyclohexyl] thiocyanate

Systemtic Name: [3-(1,3-benzothiazol-2-ylsulfanyl)-1-methyl-4-propan-2-yl-cyclohexyl] thiocyanate Openeye Name: [3-(1,3-benzothiazol-2-ylsulfanyl)-4-isopropyl-1-methyl-cyclohexyl] thiocyanate CAS Name: thiocyanic acid [3-(1,3-benzothiazol-2-ylthio)-1-methyl-4-propan-2-ylcyclohexyl] ester IUPAC Name: [3-(1,3-benzothiazol-2-ylsulfanyl)-1-methyl-4-propan-2-ylcyclohexyl] thiocyanate Traditional Name: thiocyanic acid [3-(1,3-benzothiazol-2-ylthio)-4-isopropyl-1-methyl-cyclohexyl] ester Formula: C18H22N2S3 MolecularWeight: 362.57568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CCC(CC1SC2=NC3=CC=CC=C3S2)(C)SC#N

Isomeric SMILES

CC(C)C1CCC(CC1SC2=NC3=CC=CC=C3S2)(C)SC#N

InChI

InChI=1S/C18H22N2S3/c1-12(2)13-8-9-18(3,21-11-19)10-16(13)23-17-20-14-6-4-5-7-15(14)22-17/h4-7,12-13,16H,8-10H2,1-3H3