5-cyclohexyl-4-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3-benzothiazol-2-amine

Systemtic Name: 5-cyclohexyl-4-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3-benzothiazol-2-amine Openeye Name: 5-cyclohexyl-4-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3-benzothiazol-2-amine CAS Name: 5-cyclohexyl-4-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3-benzothiazol-2-amine IUPAC Name: 5-cyclohexyl-4-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3-benzothiazol-2-amine Traditional Name: [5-cyclohexyl-4-[2-(1,2,4-triazol-1-ylmethyl)phenyl]-1,3-benzothiazol-2-yl]amine Formula: C22H23N5S MolecularWeight: 389.51652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C(C3=C(C=C2)SC(=N3)N)C4=CC=CC=C4CN5C=NC=N5

Isomeric SMILES

C1CCC(CC1)C2=C(C3=C(C=C2)SC(=N3)N)C4=CC=CC=C4CN5C=NC=N5

InChI

InChI=1S/C22H23N5S/c23-22-26-21-19(28-22)11-10-18(15-6-2-1-3-7-15)20(21)17-9-5-4-8-16(17)12-27-14-24-13-25-27/h4-5,8-11,13-15H,1-3,6-7,12H2,(H2,23,26)