3-(3-chloranyl-4-methyl-phenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)thiourea

Systemtic Name: 3-(3-chloranyl-4-methyl-phenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)thiourea Openeye Name: 3-(3-chloro-4-methyl-phenyl)-1-cyclopropyl-1-(4-pyridylmethyl)thiourea CAS Name: 3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)thiourea IUPAC Name: 3-(3-chloro-4-methylphenyl)-1-cyclopropyl-1-(pyridin-4-ylmethyl)thiourea Traditional Name: 3-(3-chloro-4-methyl-phenyl)-1-cyclopropyl-1-(4-pyridylmethyl)thiourea Formula: C17H18ClN3S MolecularWeight: 331.86292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N(CC2=CC=NC=C2)C3CC3)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N(CC2=CC=NC=C2)C3CC3)Cl

InChI

InChI=1S/C17H18ClN3S/c1-12-2-3-14(10-16(12)18)20-17(22)21(15-4-5-15)11-13-6-8-19-9-7-13/h2-3,6-10,15H,4-5,11H2,1H3,(H,20,22)