2-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)ethanamide

Systemtic Name: 2-[[4-azanyl-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)ethanamide Openeye Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)acetamide CAS Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]-N-(4-dimethylaminophenyl)acetamide IUPAC Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-dimethylaminophenyl)acetamide Traditional Name: 2-[[4-amino-5-(2-cyclohexylethyl)-1,2,4-triazol-3-yl]thio]-N-(4-dimethylaminophenyl)acetamide Formula: C20H30N6OS MolecularWeight: 402.5568

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)CCC3CCCCC3

Isomeric SMILES

CN(C)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2N)CCC3CCCCC3

InChI

InChI=1S/C20H30N6OS/c1-25(2)17-11-9-16(10-12-17)22-19(27)14-28-20-24-23-18(26(20)21)13-8-15-6-4-3-5-7-15/h9-12,15H,3-8,13-14,21H2,1-2H3,(H,22,27)