1-[(E)-[1-(2,3-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]thiourea

Systemtic Name: 1-[(E)-[1-(2,3-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methylideneamino]thiourea Openeye Name: [(E)-[1-(2,3-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]thiourea CAS Name: [(E)-[1-(2,3-dimethylphenyl)-2,5-dimethyl-3-pyrrolyl]methylideneamino]thiourea IUPAC Name: [(E)-[1-(2,3-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]thiourea Traditional Name: [(E)-[1-(2,3-dimethylphenyl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]thiourea Formula: C16H20N4S MolecularWeight: 300.4218

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=CC(=C2C)C=NNC(=S)N)C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=CC(=C2C)/C=N/NC(=S)N)C)C

InChI

InChI=1S/C16H20N4S/c1-10-6-5-7-15(12(10)3)20-11(2)8-14(13(20)4)9-18-19-16(17)21/h5-9H,1-4H3,(H3,17,19,21)/b18-9+