3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide

Systemtic Name: 3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide Openeye Name: 3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide CAS Name: N-[anilino(oxo)methyl]-3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: 3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(phenylcarbamoyl)propanamide Traditional Name: 3-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-N-(phenylcarbamoyl)propionamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCCC(=O)NC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCCC(=O)NC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2S/c27-18(23-20(28)22-16-7-3-1-4-8-16)13-14-29-21-24-19(15-11-12-15)26(25-21)17-9-5-2-6-10-17/h1-10,15H,11-14H2,(H2,22,23,27,28)