3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-(2-cyclohexylethyl)-1,2,4-triazol-4-amine

Systemtic Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-(2-cyclohexylethyl)-1,2,4-triazol-4-amine Openeye Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-(2-cyclohexylethyl)-1,2,4-triazol-4-amine CAS Name: 3-(1,3-benzothiazol-2-ylmethylthio)-5-(2-cyclohexylethyl)-1,2,4-triazol-4-amine IUPAC Name: 3-(1,3-benzothiazol-2-ylmethylsulfanyl)-5-(2-cyclohexylethyl)-1,2,4-triazol-4-amine Traditional Name: [3-(1,3-benzothiazol-2-ylmethylthio)-5-(2-cyclohexylethyl)-1,2,4-triazol-4-yl]amine Formula: C18H23N5S2 MolecularWeight: 373.53872

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CCC2=NN=C(N2N)SCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC(CC1)CCC2=NN=C(N2N)SCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H23N5S2/c19-23-16(11-10-13-6-2-1-3-7-13)21-22-18(23)24-12-17-20-14-8-4-5-9-15(14)25-17/h4-5,8-9,13H,1-3,6-7,10-12,19H2