N-[(4-butan-2-ylphenyl)-thiophen-2-yl-methyl]-2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide

Systemtic Name: N-[(4-butan-2-ylphenyl)-thiophen-2-yl-methyl]-2-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanamide Openeye Name: 2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[(4-sec-butylphenyl)-(2-thienyl)methyl]acetamide CAS Name: N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-2-[(1-cyclopropyl-5-tetrazolyl)thio]acetamide IUPAC Name: N-[(4-butan-2-ylphenyl)-thiophen-2-ylmethyl]-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide Traditional Name: 2-[(1-cyclopropyltetrazol-5-yl)thio]-N-[(4-sec-butylphenyl)-(2-thienyl)methyl]acetamide Formula: C21H25N5OS2 MolecularWeight: 427.5861

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CSC3=NN=NN3C4CC4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)C(C2=CC=CS2)NC(=O)CSC3=NN=NN3C4CC4

InChI

InChI=1S/C21H25N5OS2/c1-3-14(2)15-6-8-16(9-7-15)20(18-5-4-12-28-18)22-19(27)13-29-21-23-24-25-26(21)17-10-11-17/h4-9,12,14,17,20H,3,10-11,13H2,1-2H3,(H,22,27)