1-[5-ethyl-4-(2-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-2-(phenylmethyl)guanidine

Systemtic Name: 1-[5-ethyl-4-(2-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-2-(phenylmethyl)guanidine Openeye Name: 2-benzyl-1-[5-ethyl-4-(2-methyl-1H-pyrrol-3-yl)thiazol-2-yl]guanidine CAS Name: 1-[5-ethyl-4-(2-methyl-1H-pyrrol-3-yl)-2-thiazolyl]-2-(phenylmethyl)guanidine IUPAC Name: 2-benzyl-1-[5-ethyl-4-(2-methyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]guanidine Traditional Name: 2-benzyl-1-[5-ethyl-4-(2-methyl-1H-pyrrol-3-yl)thiazol-2-yl]guanidine Formula: C18H21N5S MolecularWeight: 339.45784

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(S1)NC(=NCC2=CC=CC=C2)N)C3=C(NC=C3)C

Isomeric SMILES

CCC1=C(N=C(S1)NC(=NCC2=CC=CC=C2)N)C3=C(NC=C3)C

InChI

InChI=1S/C18H21N5S/c1-3-15-16(14-9-10-20-12(14)2)22-18(24-15)23-17(19)21-11-13-7-5-4-6-8-13/h4-10,20H,3,11H2,1-2H3,(H3,19,21,22,23)