2-(aminocarbonylamino)-4-methylsulfanyl-N-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]butanamide

Systemtic Name: 2-(aminocarbonylamino)-4-methylsulfanyl-N-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]butanamide Openeye Name: 4-methylsulfanyl-N-[[6-(1,2,4-triazol-1-yl)-3-pyridyl]methyl]-2-ureido-butanamide CAS Name: 2-(carbamoylamino)-4-(methylthio)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]butanamide IUPAC Name: 2-(carbamoylamino)-4-methylsulfanyl-N-[[6-(1,2,4-triazol-1-yl)pyridin-3-yl]methyl]butanamide Traditional Name: 4-(methylthio)-N-[[6-(1,2,4-triazol-1-yl)-3-pyridyl]methyl]-2-ureido-butyramide Formula: C14H19N7O2S MolecularWeight: 349.41136

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCC1=CN=C(C=C1)N2C=NC=N2)NC(=O)N

Isomeric SMILES

CSCCC(C(=O)NCC1=CN=C(C=C1)N2C=NC=N2)NC(=O)N

InChI

InChI=1S/C14H19N7O2S/c1-24-5-4-11(20-14(15)23)13(22)18-7-10-2-3-12(17-6-10)21-9-16-8-19-21/h2-3,6,8-9,11H,4-5,7H2,1H3,(H,18,22)(H3,15,20,23)