1-[4-(cyanomethyl)phenyl]-3-(3-ethylphenyl)thiourea

Systemtic Name: 1-[4-(cyanomethyl)phenyl]-3-(3-ethylphenyl)thiourea Openeye Name: 1-[4-(cyanomethyl)phenyl]-3-(3-ethylphenyl)thiourea CAS Name: 1-[4-(cyanomethyl)phenyl]-3-(3-ethylphenyl)thiourea IUPAC Name: 1-[4-(cyanomethyl)phenyl]-3-(3-ethylphenyl)thiourea Traditional Name: 1-[4-(cyanomethyl)phenyl]-3-(3-ethylphenyl)thiourea Formula: C17H17N3S MolecularWeight: 295.40198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C17H17N3S/c1-2-13-4-3-5-16(12-13)20-17(21)19-15-8-6-14(7-9-15)10-11-18/h3-9,12H,2,10H2,1H3,(H2,19,20,21)