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

Systemtic Name: 2-[[4-azanyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide Openeye Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide CAS Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-[anilino(oxo)methyl]propanamide IUPAC Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylcarbamoyl)propanamide Traditional Name: 2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(phenylcarbamoyl)propionamide Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=NN=C(N2N)C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NC(=O)NC1=CC=CC=C1)SC2=NN=C(N2N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C19H20N6O3S/c1-12(17(26)22-18(27)21-14-6-4-3-5-7-14)29-19-24-23-16(25(19)20)13-8-10-15(28-2)11-9-13/h3-12H,20H2,1-2H3,(H2,21,22,26,27)