1-methyl-3-[(Z)-[3-(3-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]thiourea

Systemtic Name: 1-methyl-3-[(Z)-[3-(3-methylphenyl)-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]thiourea Openeye Name: 1-[(Z)-[1-benzyl-3-(m-tolyl)pyrazol-4-yl]methyleneamino]-3-methyl-thiourea CAS Name: 1-methyl-3-[(Z)-[3-(3-methylphenyl)-1-(phenylmethyl)-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-[(Z)-[1-benzyl-3-(3-methylphenyl)pyrazol-4-yl]methylideneamino]-3-methylthiourea Traditional Name: 1-[(Z)-[1-benzyl-3-(m-tolyl)pyrazol-4-yl]methyleneamino]-3-methyl-thiourea Formula: C20H21N5S MolecularWeight: 363.47924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C=C2C=NNC(=S)NC)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C=C2/C=N\NC(=S)NC)CC3=CC=CC=C3

InChI

InChI=1S/C20H21N5S/c1-15-7-6-10-17(11-15)19-18(12-22-23-20(26)21-2)14-25(24-19)13-16-8-4-3-5-9-16/h3-12,14H,13H2,1-2H3,(H2,21,23,26)/b22-12-