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

Systemtic Name: 1-[2-(5-phenyl-1,2,3,4-tetrazol-2-yl)ethanoylamino]-3-propyl-thiourea Openeye Name: 1-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-3-propyl-thiourea CAS Name: 1-[[1-oxo-2-(5-phenyl-2-tetrazolyl)ethyl]amino]-3-propylthiourea IUPAC Name: 1-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-3-propylthiourea Traditional Name: 1-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]-3-propyl-thiourea Formula: C13H17N7OS MolecularWeight: 319.38538

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)NNC(=O)CN1N=C(N=N1)C2=CC=CC=C2

Isomeric SMILES

CCCNC(=S)NNC(=O)CN1N=C(N=N1)C2=CC=CC=C2

InChI

InChI=1S/C13H17N7OS/c1-2-8-14-13(22)17-15-11(21)9-20-18-12(16-19-20)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3,(H,15,21)(H2,14,17,22)