1-[[4-(3-azanyl-1H-1,2,4-triazol-5-yl)pyridin-2-yl]methyl]-3-methyl-thiourea

Systemtic Name: 1-[[4-(3-azanyl-1H-1,2,4-triazol-5-yl)pyridin-2-yl]methyl]-3-methyl-thiourea Openeye Name: 1-[[4-(3-amino-1H-1,2,4-triazol-5-yl)-2-pyridyl]methyl]-3-methyl-thiourea CAS Name: 1-[[4-(3-amino-1H-1,2,4-triazol-5-yl)-2-pyridinyl]methyl]-3-methylthiourea IUPAC Name: 1-[[4-(3-amino-1H-1,2,4-triazol-5-yl)pyridin-2-yl]methyl]-3-methylthiourea Traditional Name: 1-[[4-(3-amino-1H-1,2,4-triazol-5-yl)-2-pyridyl]methyl]-3-methyl-thiourea Formula: C10H13N7S MolecularWeight: 263.32212

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NCC1=NC=CC(=C1)C2=NC(=NN2)N

Isomeric SMILES

CNC(=S)NCC1=NC=CC(=C1)C2=NC(=NN2)N

InChI

InChI=1S/C10H13N7S/c1-12-10(18)14-5-7-4-6(2-3-13-7)8-15-9(11)17-16-8/h2-4H,5H2,1H3,(H2,12,14,18)(H3,11,15,16,17)