3-butyl-1-[(E)-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-1-methyl-thiourea

Systemtic Name: 3-butyl-1-[(E)-[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methylideneamino]-1-methyl-thiourea Openeye Name: 1-[(E)-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]-3-butyl-1-methyl-thiourea CAS Name: 3-butyl-1-[(E)-[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methylideneamino]-1-methylthiourea IUPAC Name: 1-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-3-butyl-1-methylthiourea Traditional Name: 1-[(E)-(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyleneamino]-3-butyl-1-methyl-thiourea Formula: C19H27N5S MolecularWeight: 357.51618

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(C)N=CC1=C(N(N=C1C)CC2=CC=CC=C2)C

Isomeric SMILES

CCCCNC(=S)N(C)/N=C/C1=C(N(N=C1C)CC2=CC=CC=C2)C

InChI

InChI=1S/C19H27N5S/c1-5-6-12-20-19(25)23(4)21-13-18-15(2)22-24(16(18)3)14-17-10-8-7-9-11-17/h7-11,13H,5-6,12,14H2,1-4H3,(H,20,25)/b21-13+