1-butyl-3-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]thiourea

Systemtic Name: 1-butyl-3-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]thiourea Openeye Name: 1-butyl-3-[(Z)-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]thiourea CAS Name: 1-butyl-3-[(Z)-[2,5-dimethyl-1-(2-propan-2-yl-3-pyrazolyl)-3-pyrrolyl]methylideneamino]thiourea IUPAC Name: 1-butyl-3-[(Z)-[2,5-dimethyl-1-(2-propan-2-ylpyrazol-3-yl)pyrrol-3-yl]methylideneamino]thiourea Traditional Name: 1-butyl-3-[(Z)-[1-(2-isopropylpyrazol-3-yl)-2,5-dimethyl-pyrrol-3-yl]methyleneamino]thiourea Formula: C18H28N6S MolecularWeight: 360.52012

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NN=CC1=C(N(C(=C1)C)C2=CC=NN2C(C)C)C

Isomeric SMILES

CCCCNC(=S)N/N=C\C1=C(N(C(=C1)C)C2=CC=NN2C(C)C)C

InChI

InChI=1S/C18H28N6S/c1-6-7-9-19-18(25)22-20-12-16-11-14(4)23(15(16)5)17-8-10-21-24(17)13(2)3/h8,10-13H,6-7,9H2,1-5H3,(H2,19,22,25)/b20-12-