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

Systemtic Name: 1-butyl-3-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: 1-butyl-3-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-butyl-3-[(Z)-[1-(2-cyanoethyl)-3-phenyl-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-butyl-3-[(Z)-[1-(2-cyanoethyl)-3-phenylpyrazol-4-yl]methylideneamino]thiourea Traditional Name: 1-butyl-3-[(Z)-[1-(2-cyanoethyl)-3-phenyl-pyrazol-4-yl]methyleneamino]thiourea Formula: C18H22N6S MolecularWeight: 354.47248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N6S/c1-2-3-11-20-18(25)22-21-13-16-14-24(12-7-10-19)23-17(16)15-8-5-4-6-9-15/h4-6,8-9,13-14H,2-3,7,11-12H2,1H3,(H2,20,22,25)/b21-13-