1-[[1-(4-chlorophenyl)-4-oxidanyl-pyrazol-3-yl]carbonylamino]-3-prop-2-enyl-thiourea

Systemtic Name: 1-[[1-(4-chlorophenyl)-4-oxidanyl-pyrazol-3-yl]carbonylamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[[1-(4-chlorophenyl)-4-hydroxy-pyrazole-3-carbonyl]amino]thiourea CAS Name: 1-[[[1-(4-chlorophenyl)-4-hydroxy-3-pyrazolyl]-oxomethyl]amino]-3-prop-2-enylthiourea IUPAC Name: 1-[[1-(4-chlorophenyl)-4-hydroxypyrazole-3-carbonyl]amino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[[1-(4-chlorophenyl)-4-hydroxy-pyrazole-3-carbonyl]amino]thiourea Formula: C14H14ClN5O2S MolecularWeight: 351.81126

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=S)NNC(=O)C1=NN(C=C1O)C2=CC=C(C=C2)Cl

Isomeric SMILES

C=CCNC(=S)NNC(=O)C1=NN(C=C1O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H14ClN5O2S/c1-2-7-16-14(23)18-17-13(22)12-11(21)8-20(19-12)10-5-3-9(15)4-6-10/h2-6,8,21H,1,7H2,(H,17,22)(H2,16,18,23)