1-methyl-5-(3-pentan-3-yl-2-sulfanylidene-1H-benzimidazol-5-yl)pyrrole-2-carbonitrile

Systemtic Name: 1-methyl-5-(3-pentan-3-yl-2-sulfanylidene-1H-benzimidazol-5-yl)pyrrole-2-carbonitrile Openeye Name: 5-[3-(1-ethylpropyl)-2-thioxo-1H-benzimidazol-5-yl]-1-methyl-pyrrole-2-carbonitrile CAS Name: 1-methyl-5-(3-pentan-3-yl-2-sulfanylidene-1H-benzimidazol-5-yl)-2-pyrrolecarbonitrile IUPAC Name: 1-methyl-5-(3-pentan-3-yl-2-sulfanylidene-1H-benzimidazol-5-yl)pyrrole-2-carbonitrile Traditional Name: 5-[3-(1-ethylpropyl)-2-thioxo-1H-benzimidazol-5-yl]-1-methyl-pyrrole-2-carbonitrile Formula: C18H20N4S MolecularWeight: 324.4432

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)N1C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC1=S

Isomeric SMILES

CCC(CC)N1C2=C(C=CC(=C2)C3=CC=C(N3C)C#N)NC1=S

InChI

InChI=1S/C18H20N4S/c1-4-13(5-2)22-17-10-12(6-8-15(17)20-18(22)23)16-9-7-14(11-19)21(16)3/h6-10,13H,4-5H2,1-3H3,(H,20,23)