1-[(Z)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methylideneamino]-3-(phenylmethyl)thiourea

Systemtic Name: 1-[(Z)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methylideneamino]-3-(phenylmethyl)thiourea Openeye Name: 1-benzyl-3-[(Z)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyleneamino]thiourea CAS Name: 1-[(Z)-(5-cyano-1,2-dimethyl-3-pyrrolyl)methylideneamino]-3-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-3-[(Z)-(5-cyano-1,2-dimethylpyrrol-3-yl)methylideneamino]thiourea Traditional Name: 1-benzyl-3-[(Z)-(5-cyano-1,2-dimethyl-pyrrol-3-yl)methyleneamino]thiourea Formula: C16H17N5S MolecularWeight: 311.40468

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=NNC(=S)NCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=N\NC(=S)NCC2=CC=CC=C2

InChI

InChI=1S/C16H17N5S/c1-12-14(8-15(9-17)21(12)2)11-19-20-16(22)18-10-13-6-4-3-5-7-13/h3-8,11H,10H2,1-2H3,(H2,18,20,22)/b19-11-