2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylmethyl)-N-propyl-ethanamide

Systemtic Name: 2-[[4-azanyl-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylmethyl)-N-propyl-ethanamide Openeye Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylmethyl)-N-propyl-acetamide CAS Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(cyclopropylmethyl)-N-propylacetamide IUPAC Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclopropylmethyl)-N-propylacetamide Traditional Name: 2-[[4-amino-5-(4-tert-butylphenyl)-1,2,4-triazol-3-yl]thio]-N-(cyclopropylmethyl)-N-propyl-acetamide Formula: C21H31N5OS MolecularWeight: 401.56874

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)C(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCN(CC1CC1)C(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C21H31N5OS/c1-5-12-25(13-15-6-7-15)18(27)14-28-20-24-23-19(26(20)22)16-8-10-17(11-9-16)21(2,3)4/h8-11,15H,5-7,12-14,22H2,1-4H3