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

Systemtic Name: 6-cyclohexyl-4-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-benzothiazol-2-amine Openeye Name: 6-cyclohexyl-4-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-benzothiazol-2-amine CAS Name: 6-cyclohexyl-4-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-benzothiazol-2-amine IUPAC Name: 6-cyclohexyl-4-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-benzothiazol-2-amine Traditional Name: [6-cyclohexyl-4-phenyl-5-(1,2,4-triazol-1-ylmethyl)-1,3-benzothiazol-2-yl]amine Formula: C22H23N5S MolecularWeight: 389.51652

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC3=C(C(=C2CN4C=NC=N4)C5=CC=CC=C5)N=C(S3)N

Isomeric SMILES

C1CCC(CC1)C2=CC3=C(C(=C2CN4C=NC=N4)C5=CC=CC=C5)N=C(S3)N

InChI

InChI=1S/C22H23N5S/c23-22-26-21-19(28-22)11-17(15-7-3-1-4-8-15)18(12-27-14-24-13-25-27)20(21)16-9-5-2-6-10-16/h2,5-6,9-11,13-15H,1,3-4,7-8,12H2,(H2,23,26)