1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-3-ethyl-thiourea

Systemtic Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-3-ethyl-thiourea Openeye Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-3-ethyl-thiourea CAS Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-3-ethylthiourea IUPAC Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-3-ethylthiourea Traditional Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]-3-ethyl-thiourea Formula: C16H18N6S MolecularWeight: 326.41932

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NN=CC1=CN(N=C1C2=CC=CC=C2)CCC#N

Isomeric SMILES

CCNC(=S)N/N=C\C1=CN(N=C1C2=CC=CC=C2)CCC#N

InChI

InChI=1S/C16H18N6S/c1-2-18-16(23)20-19-11-14-12-22(10-6-9-17)21-15(14)13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,10H2,1H3,(H2,18,20,23)/b19-11-