1-[2-(4-azanyl-5-oxidanylidene-3-propyl-1,2,4-triazol-1-yl)ethanoylamino]-3-phenyl-thiourea

Systemtic Name: 1-[2-(4-azanyl-5-oxidanylidene-3-propyl-1,2,4-triazol-1-yl)ethanoylamino]-3-phenyl-thiourea Openeye Name: 1-[[2-(4-amino-5-oxo-3-propyl-1,2,4-triazol-1-yl)acetyl]amino]-3-phenyl-thiourea CAS Name: 1-[[2-(4-amino-5-oxo-3-propyl-1,2,4-triazol-1-yl)-1-oxoethyl]amino]-3-phenylthiourea IUPAC Name: 1-[[2-(4-amino-5-oxo-3-propyl-1,2,4-triazol-1-yl)acetyl]amino]-3-phenylthiourea Traditional Name: 1-[[2-(4-amino-5-keto-3-propyl-1,2,4-triazol-1-yl)acetyl]amino]-3-phenyl-thiourea Formula: C14H19N7O2S MolecularWeight: 349.41136

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN(C(=O)N1N)CC(=O)NNC(=S)NC2=CC=CC=C2

Isomeric SMILES

CCCC1=NN(C(=O)N1N)CC(=O)NNC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C14H19N7O2S/c1-2-6-11-19-20(14(23)21(11)15)9-12(22)17-18-13(24)16-10-7-4-3-5-8-10/h3-5,7-8H,2,6,9,15H2,1H3,(H,17,22)(H2,16,18,24)