N-cycloheptyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-cycloheptyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-cycloheptyl-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-cycloheptyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-cycloheptyl-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-cycloheptyl-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C16H22N4OS2 MolecularWeight: 350.50208

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3

Isomeric SMILES

C1CCCC(CC1)NC(=O)CCN2C(=NNC2=S)C3=CC=CS3

InChI

InChI=1S/C16H22N4OS2/c21-14(17-12-6-3-1-2-4-7-12)9-10-20-15(18-19-16(20)22)13-8-5-11-23-13/h5,8,11-12H,1-4,6-7,9-10H2,(H,17,21)(H,19,22)