1-butyl-3-[(Z)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylideneamino]thiourea

Systemtic Name: 1-butyl-3-[(Z)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylideneamino]thiourea Openeye Name: 1-[(Z)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]-3-butyl-thiourea CAS Name: 1-butyl-3-[(Z)-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-butylthiourea Traditional Name: 1-[(Z)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]-3-butyl-thiourea Formula: C21H24N6S MolecularWeight: 392.52046

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CCCCNC(=S)N/N=C\C1=CN(N=C1C2=CN=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H24N6S/c1-2-3-12-23-21(28)25-24-14-19-16-27(15-17-8-5-4-6-9-17)26-20(19)18-10-7-11-22-13-18/h4-11,13-14,16H,2-3,12,15H2,1H3,(H2,23,25,28)/b24-14-