2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-thienylmethyl)propanamide CAS Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 2-[[4-(3-acetamidophenyl)-1,2,4-triazol-3-yl]thio]-N-(2-thenyl)propionamide Formula: C18H19N5O2S2 MolecularWeight: 401.50576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)SC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

Isomeric SMILES

CC(C(=O)NCC1=CC=CS1)SC2=NN=CN2C3=CC(=CC=C3)NC(=O)C

InChI

InChI=1S/C18H19N5O2S2/c1-12(17(25)19-10-16-7-4-8-26-16)27-18-22-20-11-23(18)15-6-3-5-14(9-15)21-13(2)24/h3-9,11-12H,10H2,1-2H3,(H,19,25)(H,21,24)