1-[(5-azanyl-1-phenyl-pyrazol-4-yl)carbonylamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[(5-azanyl-1-phenyl-pyrazol-4-yl)carbonylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(5-amino-1-phenyl-pyrazole-4-carbonyl)amino]thiourea CAS Name: 1-[[(5-amino-1-phenyl-4-pyrazolyl)-oxomethyl]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[(5-amino-1-phenylpyrazole-4-carbonyl)amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(5-amino-1-phenyl-pyrazole-4-carbonyl)amino]thiourea Formula: C14H16N6OS MolecularWeight: 316.38144

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N

Isomeric SMILES

C=CCNC(=S)NNC(=O)C1=C(N(N=C1)C2=CC=CC=C2)N

InChI

InChI=1S/C14H16N6OS/c1-2-8-16-14(22)19-18-13(21)11-9-17-20(12(11)15)10-6-4-3-5-7-10/h2-7,9H,1,8,15H2,(H,18,21)(H2,16,19,22)