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

Systemtic Name: 1-[(Z)-[1-(phenylmethyl)-3-pyridin-3-yl-pyrazol-4-yl]methylideneamino]-3-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-[(Z)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-[(Z)-[1-(phenylmethyl)-3-(3-pyridinyl)-4-pyrazolyl]methylideneamino]-3-prop-2-enylthiourea IUPAC Name: 1-[(Z)-(1-benzyl-3-pyridin-3-ylpyrazol-4-yl)methylideneamino]-3-prop-2-enylthiourea Traditional Name: 1-allyl-3-[(Z)-[1-benzyl-3-(3-pyridyl)pyrazol-4-yl]methyleneamino]thiourea Formula: C20H20N6S MolecularWeight: 376.478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N6S/c1-2-10-22-20(27)24-23-13-18-15-26(14-16-7-4-3-5-8-16)25-19(18)17-9-6-11-21-12-17/h2-9,11-13,15H,1,10,14H2,(H2,22,24,27)/b23-13-