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

Systemtic Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C17H18N6S MolecularWeight: 338.43002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6S/c1-2-10-19-17(24)21-20-12-15-13-23(11-6-9-18)22-16(15)14-7-4-3-5-8-14/h2-5,7-8,12-13H,1,6,10-11H2,(H2,19,21,24)/b20-12-